| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: CAA_A_5(1BUC) / Model_123(1BUC/A) = [3.4]
| Download | 2910.70 | 28.30 | MNFELTKEQQMVREMVKDFAKKEIAPHAEHVDQTGEFPMQTFKKMGELGLMGIPFPEEYGGSGGDTISYALAVEEVGKACGSTGLSYAAAVSLGASPLYYFGTEEQKQTHLTPLASGTALGSFGLTEPNAGSDAGGTQTKAISNGDEYVINGEKCWITNASYARTVIVTAVTGKNKDGKNIISALIVPTDTPGLTITSPYDKMGVRGSNTAEILLEDVRVPAANLLGDPTKGFKQFLYTLDGGRISIAALAVGIAQAALDASLAYAKERKQFGQPISSFQAIQFKLADMAMEIDLARQMVLKAAWLKDHNRPFTKEAAYAKLFASEMATRACNQAIQIHGGSGYMKEYGVERMLRDAKLMEIGEGTSEIQRLVIARQLLK |
| Complex: CAA_A_5(1BUC) / Model_6(1BUC/A) = [4.7]
| Download | 2323.03 | 27.76 | MNFELTKEQQMVREMVKDFAKKEIAPHAEHVDQTGEFPMQTFKKMGELGLMGIPFPEEYGGSGGDTISYALAVEEVGKACGSTGLSYAAAVSLGASPLYYFGTEEQKQTHLTPLASGTALGSFGLTEPNAGSDAGGTQTKAISNGDEYVINGEKCWITNASYARTVIVTAVTGKNKDGKNIISALIVPTDTPGLTITSPYDKMGVRGSNTAEILLEDVRVPAANLLGDPTKGFKQFLYTLDGGRISIAALAVGIAQAALDASLAYAKERKQFGQPISSFQAIQFKLADMAMEIDLARQMVLKAAWLKDHNRPFTKEAAYAKLFASEMATRACNQAIQIHGGSGYMKEYGVERMLRDAKLMEIGEGTSEIQRLVIARQLLK |
| Complex: CAA_B_7(1BUC) / Model_34(1BUC/B) = [4.8]
| Download | 2654.47 | 28.23 | MNFELTKEQQMVREMVKDFAKKEIAPHAEHVDQTGEFPMQTFKKMGELGLMGIPFPEEYGGSGGDTISYALAVEEVGKACGSTGLSYAAAVSLGASPLYYFGTEEQKQTHLTPLASGTALGSFGLTEPNAGSDAGGTQTKAISNGDEYVINGEKCWITNASYARTVIVTAVTGKNKDGKNIISALIVPTDTPGLTITSPYDKMGVRGSNTAEILLEDVRVPAANLLGDPTKGFKQFLYTLDGGRISIAALAVGIAQAALDASLAYAKERKQFGQPISSFQAIQFKLADMAMEIDLARQMVLKAAWLKDHNRPFTKEAAYAKLFASEMATRACNQAIQIHGGSGYMKEYGVERMLRDAKLMEIGEGTSEIQRLVIARQLLK |
| Complex: CAA_G_7(1JQI) / Model_21(1JQI/B) = [5.4]
| Download | 2623.02 | 27.00 | MNFELTKEQQMVREMVKDFAKKEIAPHAEHVDQTGEFPMQTFKKMGELGLMGIPFPEEYGGSGGDTISYALAVEEVGKACGSTGLSYAAAVSLGASPLYYFGTEEQKQTHLTPLASGTALGSFGLTEPNAGSDAGGTQTKAISNGDEYVINGEKCWITNASYARTVIVTAVTGKNKDGKNIISALIVPTDTPGLTITSPYDKMGVRGSNTAEILLEDVRVPAANLLGDPTKGFKQFLYTLDGGRISIAALAVGIAQAALDASLAYAKERKQFGQPISSFQAIQFKLADMAMEIDLARQMVLKAAWLKDHNRPFTKEAAYAKLFASEMATRACNQAIQIHGGSGYMKEYGVERMLRDAKLMEIGEGTSEIQRLVIARQLLK |
| Complex: FAD_E_5(1SIQ) / Model_110(1SIQ/A) = [5.7]
| Download | 947.57 | 18.09 | MNFELTKEQQMVREMVKDFAKKEIAPHAEHVDQTGEFPMQTFKKMGELGLMGIPFPEEYGGSGGDTISYALAVEEVGKACGSTGLSYAAAVSLGASPLYYFGTEEQKQTHLTPLASGTALGSFGLTEPNAGSDAGGTQTKAISNGDEYVINGEKCWITNASYARTVIVTAVTGKNKDGKNIISALIVPTDTPGLTITSPYDKMGVRGSNTAEILLEDVRVPAANLLGDPTKGFKQFLYTLDGGRISIAALAVGIAQAALDASLAYAKERKQFGQPISSFQAIQFKLADMAMEIDLARQMVLKAAWLKDHNRPFTKEAAYAKLFASEMATRACNQAIQIHGGSGYMKEYGVERMLRDAKLMEIGEGTSEIQRLVIARQLLK |
Consensus
[pKd Mean = 4.80] | - | 2291
(s=697) | 25
(s=4) | MNFELTKEQQMVREMVKDFAKKEIAPHAEHVDQTGEFPMQTFKKMGELGLMGIPFPEEYGGSGGDTISYALAVEEVGKACGSTGLSYAAAVSLGASPLYYFGTEEQKQTHLTPLASGTALGSFGLTEPNAGSDAGGTQTKAISNGDEYVINGEKCWITNASYARTVIVTAVTGKNKDGKNIISALIVPTDTPGLTITSPYDKMGVRGSNTAEILLEDVRVPAANLLGDPTKGFKQFLYTLDGGRISIAALAVGIAQAALDASLAYAKERKQFGQPISSFQAIQFKLADMAMEIDLARQMVLKAAWLKDHNRPFTKEAAYAKLFASEMATRACNQAIQIHGGSGYMKEYGVERMLRDAKLMEIGEGTSEIQRLVIARQLLK |